5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile

C9H6F5N3 — CID 133107147

IUPAC5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(C(F)(F)F)c(CN)c(C(F)F)n1
InChIInChI=1S/C9H6F5N3/c10-8(11)7-5(3-16)6(9(12,13)14)1-4(2-15)17-7/h1,8H,3,16H2
InChIKeyMUTYYPJKCPIXLA-UHFFFAOYSA-N
MW251.16 g/mol
LogP2.37
Rot. Bonds2

About 5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile

5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile (PubChem CID 133107147) has the molecular formula C9H6F5N3 and a molecular weight of 251.16 g/mol. Its IUPAC name is 5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile
PubChem CID133107147
Molecular FormulaC9H6F5N3
Molecular Weight251.16 g/mol
Exact Mass251.05
IUPAC Name5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(C(F)(F)F)c(CN)c(C(F)F)n1
InChIInChI=1S/C9H6F5N3/c10-8(11)7-5(3-16)6(9(12,13)14)1-4(2-15)17-7/h1,8H,3,16H2
InChIKeyMUTYYPJKCPIXLA-UHFFFAOYSA-N
XLogP2.37
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)-6-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 118801084
5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonyl chloride
CID 133084782
4-(aminomethyl)-6-(difluoromethyl)-5-iodopyridine-2-carbonitrile
CID 130077308
5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-sulfonyl chloride
CID 133084815
4-(aminomethyl)-5-bromo-6-(difluoromethyl)pyridine-2-carbonitrile
CID 118824155
5-(cyanomethyl)-4,6-bis(trifluoromethyl)pyridine-2-carbonitrile
CID 169121666
5-amino-4-chloro-6-(difluoromethyl)pyridine-2-carbonitrile
CID 130102414
4-(aminomethyl)-3-chloro-5-(trifluoromethyl)benzonitrile
CID 171015306
2-[4-(chloromethyl)-6-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 133106535
5-(bromomethyl)-4-(cyanomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile
CID 130078886
2-[6-amino-2-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 134671561
6-(difluoromethyl)-4-(hydroxymethyl)-5-iodopyridine-2-carbonitrile
CID 130077512

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile (CID 133107147) is 5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile is N#Cc1cc(C(F)(F)F)c(CN)c(C(F)F)n1.
What is the InChIKey of 5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile?
The InChIKey is MUTYYPJKCPIXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F5N3/c10-8(11)7-5(3-16)6(9(12,13)14)1-4(2-15)17-7/h1,8H,3,16H2.
What are the key properties of 5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile?
5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile has a molecular weight of 251.16 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 133107147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).